[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chloranyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chloranyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chlorobenzofuran-2-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(5-chloro-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-1-benzofuran-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chlorobenzofuran-2-yl)methanone Formula: C21H19ClN3O2S+ MolecularWeight: 412.91246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C21H18ClN3O2S/c22-15-5-6-17-14(11-15)12-18(27-17)21(26)25-9-7-24(8-10-25)13-20-23-16-3-1-2-4-19(16)28-20/h1-6,11-12H,7-10,13H2/p+1